K292-0591 Screening compound: ethyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-3-oxobutanoate

K292-0591 Screening compound: ethyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-3-oxobutanoate
K292-0591 Screening compound: ethyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-3-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K292-0591
ethyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-3-oxobutanoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K292-0591

Molecular Formula

C20H18N2O6S2 (C20 H18 N2 O6 S2)

Compound Name

ethyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-3-oxobutanoate

IUPAC name

ethyl 4-({3-[(2H-13-benzodioxol-5-yl)methyl]-4-oxo-3H4H-thieno[32-d]pyrimidin-2-yl}sulfanyl)-3-oxobutanoate

SMILES

CCOC(CC(CSC(N(Cc(cc1)cc2c1OCO2)C1=O)=Nc2c1scc2)=O)=O

InChI

InChI=1S/C20H18N2O6S2/c1-2-26-17(24)8-13(23)10-30-20-21-14-5-6-29-18(14)19(25)22(20)9-12-3-4-15-16(7-12)28-11-27-15/h3-7H,2,8-11H2,1H3

InChI Key

MPAUUVGQKLGHTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03018708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.056

Distribution Coefficient, logD

3.056

Water Solubility, LogSw

-3.31

Polar Surface Area

77.090

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

K292-0591 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K292-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K292-0591?
Check Price and Availability of K292-0591, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K292-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K292-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K292-0591
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K292-0591 available by request